3'-deaminofusarochromanone
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Formula: C15H19NO4
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Molecular weight: 277.31
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Smiles: CC1(CC(=O)C2=C(O1)C=CC(=C2N)C(=O)CCCO)C
3'-deaminofusarochromanone
Names
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Mycotoxin name: 3'-deaminofusarochromanone
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First synonym: 3'-deaminofusarochromanone
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Synonyms: 3'-Deaminofusarochromanone,CHEBI:179269,2,2-dimethyl-5-amino-6-(4'-hydroxylbutyryl)- 4-chromone,5-Amino-6-(4-hydroxybutanoyl)-2,2-dimethyl-4-chromanone,5-amino-6-(4-hydroxybutanoyl)-2,2-dimethyl-3H-chromen-4-one
Identifiers / External links
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CAS: 162287-96-9
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PubChem CID: 15225568
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ChemSpiderID: 30777558
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Chemical Entities of Biological Interest (CHEBI): CHEBI:179269
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CompTox Chemicals Dashboard (DTXSID): DTXSID201135848
Structure
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Smiles: CC1(CC(=O)C2=C(O1)C=CC(=C2N)C(=O)CCCO)C
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Isomeric smiles: CC1(CC(=O)C2=C(O1)C=CC(=C2N)C(=O)CCCO)C
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Inchi: InChI=1S/C15H19NO4/c1-15(2)8-11(19)13-12(20-15)6-5-9(14(13)16)10(18)4-3-7-17/h5-6,17H,3-4,7-8,16H2,1-2H3
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Inchikey: GUILTLWLDALBNW-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C15H19NO4
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Molecular weight: 277.31
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Monoisotopic mass: 277.13140809
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Fungi
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Fungi id Species 533 Fusarium equiseti